SCHEMBL3883045

SCHEMBL3883045

COc1cc2cc(COC(C)=O)c(COC(C)=O)c(-c3ccnc(C4C(=O)CCCC4=O)c3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.52
PDE4B Q07343 18/20 0.52
PDE4C Q08493 18/20 0.52
PDE4D Q08499 18/20 0.52
PDE3B Q13370 16/20 0.52
PDE3A Q14432 16/20 0.52
PDE1A P54750 12/20 0.42
PDE1B Q01064 12/20 0.42
PDE1C Q14123 12/20 0.42
PDE5A O76074 11/20 0.42
IRAK4 Q9NWZ3 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3872831 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276796 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7286296 0.79 PDE3B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7279466 0.74 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276791 0.74 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7746636 0.73 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285560 0.73 PDE3B (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7286791 0.72 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7749441 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7747600 0.72 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550475-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
US-7550464-B2 Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1424326-B1 FUSED-POLYCYCLIC COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-05-28 EP disclosed
US-20070010521-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-11 US disclosed
US-20070004739-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-20070004740-A1 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. 2007-01-04 US disclosed
US-7153859-B2 Condensed polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2006-12-26 US disclosed
US-20040204418-A1 Fused-polycyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2004-10-14 US disclosed
EP-1424326-A1 FUSED-POLYCYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-06-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004740-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 6/4885
US-20070010521-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 6/4885
US-20070004739-A1 Condensed polycyclic compounds PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 6/4885
US-20040204418-A1 Fused-polycyclic compounds PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.